N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide

C13H23F3N2O2 — CID 134349445

IUPACN-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide
SMILESCC(NCC(F)(F)F)C(O)C(=O)NCC1CCCCC1
InChIInChI=1S/C13H23F3N2O2/c1-9(18-8-13(14,15)16)11(19)12(20)17-7-10-5-3-2-4-6-10/h9-11,18-19H,2-8H2,1H3,(H,17,20)
InChIKeyQVAHUAJGEYPERW-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.58
Rot. Bonds6

About N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide

N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide (PubChem CID 134349445) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide
PubChem CID134349445
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide
SMILESCC(NCC(F)(F)F)C(O)C(=O)NCC1CCCCC1
InChIInChI=1S/C13H23F3N2O2/c1-9(18-8-13(14,15)16)11(19)12(20)17-7-10-5-3-2-4-6-10/h9-11,18-19H,2-8H2,1H3,(H,17,20)
InChIKeyQVAHUAJGEYPERW-UHFFFAOYSA-N
XLogP1.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide (CID 134349445) is N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide is CC(NCC(F)(F)F)C(O)C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide?
The InChIKey is QVAHUAJGEYPERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-9(18-8-13(14,15)16)11(19)12(20)17-7-10-5-3-2-4-6-10/h9-11,18-19H,2-8H2,1H3,(H,17,20).
What are the key properties of N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide?
N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide has a molecular weight of 296.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide is sourced from PubChem (CID 134349445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).